4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride

C13H20ClNO2 — CID 23724366

IUPAC4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
SMILESCOc1ccc(OCC2CCNCC2)cc1.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-15-12-2-4-13(5-3-12)16-10-11-6-8-14-9-7-11;/h2-5,11,14H,6-10H2,1H3;1H
InChIKeyRDGIWBQVTNQYAA-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.50
Rot. Bonds4

About 4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride

4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride (PubChem CID 23724366) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
PubChem CID23724366
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
SMILESCOc1ccc(OCC2CCNCC2)cc1.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-15-12-2-4-13(5-3-12)16-10-11-6-8-14-9-7-11;/h2-5,11,14H,6-10H2,1H3;1H
InChIKeyRDGIWBQVTNQYAA-UHFFFAOYSA-N
XLogP2.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride
CID 46735634
4-(piperidin-4-ylmethoxy)benzonitrile
CID 10560682
4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride
CID 56831093
4-methoxy-2-(piperidin-4-ylmethoxy)pyridine;dihydrochloride
CID 162422911
3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830321
4-(piperidin-4-ylmethoxy)benzaldehyde
CID 154636749
4-[(4-benzylphenoxy)methyl]piperidine
CID 23722975
2-[4-(piperidin-4-ylmethoxy)phenyl]ethanol
CID 113242079
4-[(2-methoxyphenoxy)methyl]piperidine
CID 22248030
(3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine
CID 86321325
2-bromo-5-(piperidin-4-ylmethoxy)pyridine;hydrochloride
CID 118109642
N-[4-(piperidin-4-ylmethoxy)phenyl]methanesulfonamide
CID 19992428

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride?
The IUPAC name of 4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride (CID 23724366) is 4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride?
The canonical SMILES for 4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride is COc1ccc(OCC2CCNCC2)cc1.Cl.
What is the InChIKey of 4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride?
The InChIKey is RDGIWBQVTNQYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.ClH/c1-15-12-2-4-13(5-3-12)16-10-11-6-8-14-9-7-11;/h2-5,11,14H,6-10H2,1H3;1H.
What are the key properties of 4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride?
4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride is sourced from PubChem (CID 23724366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).